9LDI

The complex structure of TkoKptA/2',3',5'-p-A

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL10U2
Synchrotron site	SSRF
Beamline	BL10U2
Temperature [K]	100
Detector technology	CCD
Collection date	2023-09-24
Detector	RAYONIX MX300HE
Wavelength(s)	0.987
Spacegroup name	P 65 2 2
Unit cell lengths	58.620, 58.620, 221.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.310 - 1.950
R-factor	0.2106
Rwork	0.209
R-free	0.23960
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.094
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.900	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.107	1.304
Rmeas	0.108	1.338
Rpim	0.019	0.296
Number of reflections	17512	1227
<I/σ(I)>	23.6	3
Completeness [%]	100.0
Redundancy	31.7
CC(1/2)	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	300	200 mM Potassium phosphate monobasic 20% w/v PEG 3350 pH 4.8